Navigation

name Structure Reference Source Properties Activities Metabolism

S-adenosyl-L-homocysteine

AlkaPlorer ID: AK006006

Synonym: '', 'S-ADENOSYL-L-HOMOCYSTEINE', "S-(5'-adenosyl)-L-homocysteine", 'S-1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl-L-homocysteine', 'Adenosyl-L-homocysteine', 'SAH', 'S-Adenosyl-L-homocysteine', 'adenosylhomocysteine', '(2S)-2-amino-4-({(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl}sulfanyl)butanoic acid', 'AdoHcy', '2-S-adenosyl-L-homocysteine', 'S-Adenosylhomocysteine'

IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Structure

SMILES: NC1=C2N=CN([C@@H]3O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2=NC=N1

copy

InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

copy

InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 384.418

TPSA？: 182.63

MolLogP？: -1.4370999999999974

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Acetylserotonin O-methyltransferase Inhibition 1.0 % 10.1021/jm00210a026
Bos taurus Acetylserotonin O-methyltransferase Inhibition 6.0 % 10.1021/jm00210a026
Bos taurus Acetylserotonin O-methyltransferase Inhibition 71.0 % 10.1021/jm00210a026
Bos taurus Acetylserotonin O-methyltransferase Inhibition 94.0 % 10.1021/jm00210a026
Bos taurus Acetylserotonin O-methyltransferase Kis 18.5 uM 10.1021/jm00223a043
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 14.0 % 10.1021/jm00210a026
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 14.0 % 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 32.0 % 10.1021/jm00210a026
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 32.0 % 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 49.0 % 10.1021/jm00210a026
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 49.0 % 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 92.0 % 10.1021/jm00210a026
Bos taurus Phenylethanolamine N-methyltransferase Inhibition 92.0 % 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Ki 29000.0 nM 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Ki 62300.0 nM 10.1021/jm00382a016
Bos taurus Phenylethanolamine N-methyltransferase Kis 29.0 uM 10.1021/jm00223a043
Cavia porcellus Histamine N-methyltransferase Inhibition 40.0 % 10.1021/jm00210a026
Cavia porcellus Histamine N-methyltransferase Inhibition 40.0 % 10.1021/jm00382a016
Cavia porcellus Histamine N-methyltransferase Inhibition 73.0 % 10.1021/jm00210a026
Cavia porcellus Histamine N-methyltransferase Inhibition 73.0 % 10.1021/jm00382a016
Cavia porcellus Histamine N-methyltransferase Inhibition 89.0 % 10.1021/jm00210a026
Cavia porcellus Histamine N-methyltransferase Inhibition 89.0 % 10.1021/jm00382a016
Cavia porcellus Histamine N-methyltransferase Inhibition 99.0 % 10.1021/jm00210a026
Cavia porcellus Histamine N-methyltransferase Inhibition 99.0 % 10.1021/jm00382a016
Cavia porcellus Histamine N-methyltransferase Kis 18.1 uM 10.1021/jm00223a043
Dengue virus Nonstructural protein 5 IC50 490.0 nM 10.1021/acs.jmedchem.5b01653
Homo sapiens Catechol O-methyltransferase Inhibition 24.0 % 10.1021/jm00227a021
Homo sapiens Catechol O-methyltransferase Inhibition 33.0 % 10.1021/jm00227a021
Homo sapiens Catechol O-methyltransferase Inhibition 64.0 % 10.1021/jm00227a021
Homo sapiens DNA (cytosine-5)-methyltransferase 1 Activity 0.5 % 10.1021/jm2010404
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 71.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 200.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 600.0 nM 10.1016/j.bmcl.2019.01.022
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 700.0 nM 10.1021/acs.jmedchem.1c01869
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 800.0 nM 10.1016/j.bmcl.2009.03.132
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 900.0 nM 10.1021/jm2016182
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 941.0 nM 10.1016/j.bmcl.2012.03.072
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 2000.0 nM 10.1016/j.bmcl.2009.03.113
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 4000.0 nM 10.1016/j.bmc.2009.11.050
Homo sapiens DNA (cytosine-5)-methyltransferase 1 IC50 4000.0 nM 10.1021/jm2010404
Homo sapiens DNA (cytosine-5)-methyltransferase 1 Inhibition 26.0 % 10.1016/j.bmc.2009.11.050
Homo sapiens DNA (cytosine-5)-methyltransferase 1 Inhibition nan % 10.1021/jm2016182
Homo sapiens DNA (cytosine-5)-methyltransferase 3A IC50 50000.0 nM 10.1021/ml500467h
Homo sapiens DNA (cytosine-5)-methyltransferase 3A Inhibition 96.7 % 10.1021/acs.jmedchem.2c00388
Homo sapiens DNA (cytosine-5)-methyltransferase 3B IC50 200.0 nM 10.1016/j.bmcl.2009.03.132
Homo sapiens DNA (cytosine-5)-methyltransferase 3B IC50 250.0 nM 10.1016/j.bmc.2009.11.050
Homo sapiens DNA (cytosine-5)-methyltransferase 3B IC50 300.0 nM 10.1016/j.bmcl.2009.03.113
Homo sapiens DNA (cytosine-5)-methyltransferase 3B IC50 700.0 nM 10.1021/acs.jmedchem.1c01869
Homo sapiens DNA (cytosine-5)-methyltransferase 3B IC50 50000.0 nM 10.1021/ml500467h
Homo sapiens DNA (cytosine-5)-methyltransferase 3B Inhibition 28.0 % 10.1016/j.bmc.2009.11.050
Homo sapiens DNMT3A2/3L complex Activity 20.0 % 10.1016/j.bmcl.2019.01.022
Homo sapiens Fatty acid synthase Ki 150000.0 nM 10.1016/j.bmcl.2004.01.051
Homo sapiens Histamine N-methyltransferase Ki 10500.0 nM 10.1021/jm00382a016
Homo sapiens Histamine N-methyltransferase Ki 18100.0 nM 10.1021/jm00382a016
Homo sapiens Histone-arginine methyltransferase CARM1 Ki 400.0 nM 10.1021/jm4007752
Homo sapiens Histone-arginine methyltransferase CARM1 Ki 860.0 nM 10.1021/jm300917h
Homo sapiens Histone-lysine N-methyltransferase EZH1 IC50 6400.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 263.0 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 283.0 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 380.0 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 467.0 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 1900.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 4800.0 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 5903.4 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 6237.9 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 6908.2 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 11000.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 16619.3 nM None
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 22600.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 23700.0 nM 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 65000.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Histone-lysine N-methyltransferase EZH2 Inhibition 84.2 % 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase EZH2 Inhibition nan % 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific IC50 140.0 nM 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific IC50 220.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific IC50 600.0 nM 10.1016/j.bmc.2013.01.049
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Inhibition 100.0 % 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Kd 150.0 nM 10.1021/jm300917h
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Kd 360.0 nM 10.1021/jm300917h
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Ki 160.0 nM 10.1021/jm300917h
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Ki 160.0 nM 10.1021/jm4007752
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Ki 270.0 nM 10.1021/acs.jmedchem.8b01732
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 IC50 1820.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 IC50 2000.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 IC50 4100.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Inhibition 94.3 % 10.1021/acs.jmedchem.2c00388
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Inhibition nan % 10.1021/jm401063r
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Ki 570.0 nM 10.1021/jm4007752
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 IC50 230.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase MLL IC50 2300.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase NSD2 IC50 39100.0 nM 10.1016/j.ejmech.2021.113592
Homo sapiens Histone-lysine N-methyltransferase NSD2 Inhibition 54.0 % 10.1016/j.ejmech.2021.113592
Homo sapiens Histone-lysine N-methyltransferase SETD7 IC50 30000.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase SETD7 IC50 47000.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Histone-lysine N-methyltransferase SETD7 IC50 nan None 10.1016/j.ejmech.2019.112023
Homo sapiens Histone-lysine N-methyltransferase SETDB1 IC50 2200.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase SUV39H1 IC50 1200.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase SUV39H1 Ki 4900.0 nM 10.1021/jm300917h
Homo sapiens Histone-lysine N-methyltransferase SUV39H2 IC50 22000.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Histone-lysine N-methyltransferase SUV39H2 IC50 32000.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Histone-lysine N-methyltransferase SUV420H2 IC50 10000.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Indolethylamine N-methyltransferase Ki 2000.0 nM 10.1021/jm00364a021
Homo sapiens METTL3/METTL14 Delta Tm 3.7 degrees C 10.1021/acs.jmedchem.1c00773
Homo sapiens MLL1-ASH2L/RbBP5/WDR5/DPY30 IC50 724.0 nM 10.1021/acsmedchemlett.0c00229
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase B IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens N6-adenosine-methyltransferase catalytic subunit IC50 590.0 nM 10.1021/acs.jmedchem.1c00773
Homo sapiens Nicotinamide N-methyltransferase IC50 26300.0 nM 10.1039/D1MD00016K
Homo sapiens Nicotinamide N-methyltransferase IC50 35300.0 nM 10.1021/acs.jmedchem.9b00413
Homo sapiens Nicotinamide N-methyltransferase Inhibition 50.0 % 10.1021/acs.jmedchem.9b00413
Homo sapiens N-lysine methyltransferase SETD8 IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens N-lysine methyltransferase SETD8 Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens N-lysine methyltransferase SMYD2 IC50 180.0 nM 10.1016/j.bmcl.2015.02.017
Homo sapiens Phenylethanolamine N-methyltransferase Ki 14000.0 nM 10.1021/acs.jmedchem.0c01475
Homo sapiens Phenylethanolamine N-methyltransferase Kii nan None 10.1021/acs.jmedchem.0c01475
Homo sapiens Phenylethanolamine N-methyltransferase Kis nan None 10.1021/acs.jmedchem.0c01475
Homo sapiens PRMT5/MEP50 complex IC50 560.0 nM 10.1016/j.bmcl.2018.10.026
Homo sapiens PRMT5/MEP50 complex IC50 600.0 nM 10.1016/j.bmcl.2018.03.087
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 250.0 nM 10.1016/j.ejmech.2022.114410
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 420.0 nM 10.1021/jm501452j
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 500.0 nM 10.1016/j.bmcl.2015.06.095
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 550.0 nM 10.1016/j.bmcl.2017.09.016
Homo sapiens Protein-arginine N-methyltransferase 1 Inhibition 90.0 % 10.1016/j.bmcl.2017.09.016
Homo sapiens Protein-arginine N-methyltransferase 1 Inhibition 100.0 % 10.1016/j.ejmech.2022.114410
Homo sapiens Protein-arginine N-methyltransferase 1 Ki 400.0 nM 10.1021/jm300917h
Homo sapiens Protein arginine N-methyltransferase 3 IC50 110.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens Protein arginine N-methyltransferase 3 IC50 760.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens Protein arginine N-methyltransferase 3 IC50 2000.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Protein arginine N-methyltransferase 5 IC50 200.0 nM 10.1016/j.bmcl.2016.07.041
Homo sapiens Protein arginine N-methyltransferase 5 IC50 50000.0 nM 10.1021/ml500467h
Homo sapiens Protein arginine N-methyltransferase 5 IC50 nan None 10.1016/j.ejmech.2019.112023
Homo sapiens Protein arginine N-methyltransferase 7 IC50 110.0 nM 10.1016/j.ejmech.2019.112023
Homo sapiens Protein arginine N-methyltransferase 7 IC50 50000.0 nM 10.1021/ml500467h
Homo sapiens RNA cytosine C(5)-methyltransferase NSUN2 Inhibition 97.3 % 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase Activity nan None 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase deltaG -27.8 kJ/mol 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase deltaH -55.3 kJ/mol 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase IC50 15800.0 nM 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase Inhibition 85.7 % 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase Kd 13600.0 nM 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(38)-C(5))-methyltransferase -TdeltaS 27.5 kJ/mol 10.1021/acs.jmedchem.2c00388
Homo sapiens tRNA (cytosine(72)-C(5))-methyltransferase NSUN6 Inhibition 99.6 % 10.1021/acs.jmedchem.2c00388
Leishmania donovani Leishmania donovani Ki 7200.0 nM 10.1021/jm00113a018
Mus musculus DNA (cytosine-5)-methyltransferase 1 Inhibition nan % 10.1021/jm501134e
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) tRNA (guanine-N(1)-)-methyltransferase Ka 7700.0 /M/s 10.1021/acs.jmedchem.9b00582
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) tRNA (guanine-N(1)-)-methyltransferase Kd 10100.0 nM 10.1021/acs.jmedchem.9b00582
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) tRNA (guanine-N(1)-)-methyltransferase Kdiss 0.0775 /s 10.1021/acs.jmedchem.9b00582
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) tRNA (guanine-N(1)-)-methyltransferase Tm 57.0 degrees C 10.1021/acs.jmedchem.9b00582
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) tRNA (guanine-N(1)-)-methyltransferase Delta Tm 4.0 degrees C 10.1021/acs.jmedchem.9b00582
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) tRNA (guanine-N(1)-)-methyltransferase Ka 55500.0 /M/s 10.1021/acs.jmedchem.9b00582
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) tRNA (guanine-N(1)-)-methyltransferase Kd 5900.0 nM 10.1021/acs.jmedchem.9b00582
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) tRNA (guanine-N(1)-)-methyltransferase Kdiss 0.326 /s 10.1021/acs.jmedchem.9b00582
Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) tRNA (guanine-N(1)-)-methyltransferase Tm 62.0 degrees C 10.1021/acs.jmedchem.9b00582
Rattus norvegicus Adenosylhomocysteinase Km 9700.0 nM 10.1016/s0960-894x(01)00789-2
Rattus norvegicus Adenosylhomocysteinase Vmax 1.1 uM min-1mg-1 10.1016/s0960-894x(01)00789-2
Rattus norvegicus Alpha-2a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.0c01475
Rattus norvegicus Catechol O-methyltransferase Inhibition 5.0 % 10.1021/jm00210a026
Rattus norvegicus Catechol O-methyltransferase Inhibition 5.0 % 10.1021/jm00382a016
Rattus norvegicus Catechol O-methyltransferase Inhibition 22.0 % 10.1021/jm00210a026
Rattus norvegicus Catechol O-methyltransferase Inhibition 22.0 % 10.1021/jm00382a016
Rattus norvegicus Catechol O-methyltransferase Inhibition 39.0 % 10.1021/jm00210a026
Rattus norvegicus Catechol O-methyltransferase Inhibition 39.0 % 10.1021/jm00382a016
Rattus norvegicus Catechol O-methyltransferase Inhibition 87.0 % 10.1021/jm00210a026
Rattus norvegicus Catechol O-methyltransferase Inhibition 87.0 % 10.1021/jm00382a016
Rattus norvegicus Catechol O-methyltransferase Kis 36.3 uM 10.1021/jm00223a043
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 220.0 nM 10.1039/d2md00149g
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 20.82 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.22 % 10.6019/CHEMBL4495565
Staphylococcus aureus (strain NCTC 8325 / PS 47) tRNA (guanine-N(1)-)-methyltransferase Ka 279000.0 /M/s 10.1021/acs.jmedchem.9b00582
Staphylococcus aureus (strain NCTC 8325 / PS 47) tRNA (guanine-N(1)-)-methyltransferase Kd 3300.0 nM 10.1021/acs.jmedchem.9b00582
Staphylococcus aureus (strain NCTC 8325 / PS 47) tRNA (guanine-N(1)-)-methyltransferase Kdiss 0.92 /s 10.1021/acs.jmedchem.9b00582
Streptococcus pneumoniae rRNA adenine N-6-methyltransferase Ki 40000.0 nM 10.1016/s0960-894x(00)00021-4
Streptococcus pneumoniae rRNA adenine N-6-methyltransferase Ki 40000.0 nM 10.1021/jm990293a
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Kcat 12.2 /s 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Kcat/Km 5.8 10^4/M/s 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) 5-methylthioadenosine/S-adenosylhomocysteine deaminase Km 210000.0 nM 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) Adenosylhomocysteinase Kact 0.24 /min 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) Adenosylhomocysteinase Kcat/Km 1.1 10^2/M/s 10.1038/nature05981
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) Adenosylhomocysteinase Km 21000.0 nM 10.1038/nature05981
None ADMET Ratio 0.13 None 10.1021/jm00113a018
None No relevant target Rf 0.73 None 10.1021/jm00210a026
None Nucleic Acid Activity nan None 10.1016/j.bmcl.2011.04.033
None Unchecked Activity nan None 10.1016/j.bmc.2007.11.075
None Unchecked Delta Tm 0.8 degrees C 10.1021/acs.jmedchem.1c00773
None Unchecked Delta Tm 6.3 degrees C 10.1021/acs.jmedchem.1c00773
None Unchecked Delta Tm 6.5 degrees C 10.1016/j.ejmech.2020.112557
None Unchecked IC50 1770.0 nM 10.1021/acs.jmedchem.5b01653
None Unchecked IC50 3900.0 nM 10.1039/d2md00149g
None Unchecked IC50 11900.0 nM 10.1016/j.bmcl.2012.03.072
None Unchecked Inhibition 77.0 % 10.1021/jm00227a021
None Unchecked Inhibition 83.0 % 10.1021/jm00227a021
None Unchecked Ki 25000.0 nM 10.1021/jm00227a021
None Unchecked Ratio IC50 0.1 None 10.1016/j.bmcl.2012.03.072
None Unchecked Ratio Ki nan None 10.1021/acs.jmedchem.0c01475

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000401 *C(=O)[C@@H](N)CC[S@+](C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O RXN-22921
AKRT000650 *N[C@@H](CCCNC(=N)N)C(*)=O.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O RXN-21081
AKRT000880 *OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O*.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O RXN-12465
AKRT014520 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O R12497
AKRT014540 C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O RXN-17197
AKRT019389 N[C@@H](CCS)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O enzymemap_64351
AKRT022208 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>NC(CCSC1OC(CO)C(O)C1O)C(=O)O MNXR152915
AKRT022209 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCS)C(=O)O ADENOSYLHOMOCYSTEINASE-RXN
AKRT022210 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(=O)O ADENOSYLHOMOCYSTEINE-NUCLEOSIDASE-RXN
AKRT022211 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCSC[C@H]1O[C@@H](n2cnc3c(=O)nc[nH]c32)[C@H](O)[C@@H]1O)C(=O)O S-ADENOSYLHOMOCYSTEINE-DEAMINASE-RXN
AKRT022212 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2[nH]cnc12 ADENOSYLHOMOCYSTEINE-NUCLEOSIDASE-RXN
AKRT022213 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ADENOSYLHOMOCYSTEINASE-RXN
AKRT022214 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)C(=O)O)[C@@H](O)[C@H]1O enzymemap_22216